class easyreflectometry.sample.elements.layers.layer_area_per_molecule.LayerAreaPerMolecule

Bases: Layer

The LayerAreaPerMolecule class allows a layer to be defined in terms of some molecular formula an area per molecule, and a solvent.

material: MaterialSolvated

Material that makes up the layer.

__init__(molecular_formula=None, thickness=None, solvent=None, solvent_fraction=None, area_per_molecule=None, roughness=None, name='EasyLayerAreaPerMolecule', unique_name=None, interface=None)

Constructor.

Parameters:

• molecular_formula (Optional[str]) – Formula for the molecule in the layer.

• thickness (Union[Parameter, float, None]) – Layer thickness in Angstrom.

• solvent (Optional[Material]) – Solvent containing the molecule.

• solvent_fraction (Union[Parameter, float, None]) – Fraction of solvent in layer. Fx solvation or surface coverage.

• area_per_molecule (Union[Parameter, float, None]) – Area per molecule in the layer

• roughness (Union[Parameter, float, None]) – Upper roughness on the layer in Angstrom.

• name (str) – Name of the layer, defaults to “EasyLayerAreaPerMolecule”

• interface – Interface object, defaults to None

property area_per_molecule_parameter: Parameter

Get the parameter for area per molecule.

property area_per_molecule: float

Get the area per molecule.

property molecule: Material

Get the molecule material.

property solvent: Material

Get the solvent material.

property solvent_fraction_parameter: float

Get parameter for the fraction of the layer occupied by the solvent.

property solvent_fraction: float

Get the fraction of the layer occupied by the solvent. This could be a result of either water solvating the molecule, or incomplete surface coverage of the molecules.

user_data: dict

property molecular_formula: str

Get the formula of molecule the layer.

as_dict(skip=None)

Produces a cleaned dict using a custom as_dict method to skip necessary things. The resulting dict matches the parameters in __init__

Parameters:

skip (Optional[list[str]]) – List of keys to skip, defaults to None.

Return type:

dict[str, str]